Consensus flow list

Identity

Type
MolecularComplex
CAS
3047-33-4
EC
221-255-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, Trisodium Salt

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YGVXAOYZZXLWGG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;
IUPAC name chemrof:IUPAC_name 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, Trisodium Salt
Molecular formula chemrof:molecular_formula C3H3N3Na3O3
Molecular mass chemrof:molecular_mass 198.045
Monoisotopic mass chemrof:monoisotopic_mass 197.986749
SMILES string chemrof:smiles_string O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na].[Na]

Known URLs

2

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3047-33-4 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70452597 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
4592c943-9e75-48c0-a00c-d8af9593e9a4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
92dabe71-0a7a-4f47-85a0-d1f03b285b07 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
105ff92a-aba7-4cc4-a453-53aa3f419cfc Environmental → Air → Indoor EF 3.1 kg 4
496fb06a-ad6e-4a83-ad5f-7e73590b12e7 Environmental → Air → Long-term EF 3.1 kg 0
6851763a-4526-4707-856c-083922cdfd76 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8b5721ab-c118-4e95-b4a4-ad37a0e6c2b3 Environmental → Air → Unknown EF 3.1 kg 4
f5dadc4f-23d0-4ba8-bdfe-6f9c66619250 Environmental → Ground → Agricultural EF 3.1 kg 4
fc9adda1-b7a8-4ab1-86b1-e4c22f9526df Environmental → Ground → Non-agricultural EF 3.1 kg 4
5a4bddb7-8a21-4e02-9b80-9f83e6294791 Environmental → Ground → Unknown EF 3.1 kg 4
53322675-b74e-425c-97fa-796943c25fc7 Environmental → Water → Long-term EF 3.1 kg 0
c4c9c4cf-7b13-4cc1-bcce-f7bd7fbb3204 Environmental → Water → Ocean EF 3.1 kg 4
c5ae05d1-70e1-4cba-bc63-dc4211023a5b Environmental → Water → Surface water EF 3.1 kg 4
c45b08d2-2bc0-4ec0-bd95-a1a23f29e098 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a9af3b0a1e0d800d",
  "prefLabel": [
    {
      "@value": "1,3,5-triazine-2,4,6(1h,3h,5h)-trione, Trisodium Salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, sodium salt (1:3)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3047-33-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyanuric acid trisodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyanuric acid, trisodium deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "s-Triazine-2,4,6-triol, trisodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium, (s-triazine-2,4,6-triyltrioxy)tri-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium 1,3,5-triazine-2,4,6(1H,3H,5H)-trione",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium 1,3,5-triazinetriolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium cyanurate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium isocyanurate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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    }
  ],
  "properties": {
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      ],
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      },
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        },
        {
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      ],
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      "rdfs:label": "InChIKey",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na].[Na]"
      ],
      "provenance": [
        {
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          ]
        },
        {
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      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;"
      ],
      "provenance": [
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        },
        {
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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        }
      ],
      "attested_by": {
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        ]
      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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  },
  "references": [
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  "created_from": {
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    "semantic_typing": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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